SCHEMBL20283829

SCHEMBL20283829

CCCC(N)CCN(C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ METAP1 P53582 2/20 0.34
▸ GRIK1 P39086 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CHRM1 P11229 2/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20032146 0.89 ALDH1A1 (0.39) ALDH1A1METAP1GRIK1SLC1A3SLC1A2
SCHEMBL12633371 0.77 GABRP (0.43) ALDH1A1NOS3NOS1NOS2CHRM1
SCHEMBL19214724 0.74 USP2 (0.34) —
SCHEMBL10707358 0.73 DNM1 (0.40) ALDH1A1METAP1HTR2AHRH1TDP1
SCHEMBL21447374 0.73 DNM1 (0.40) ALDH1A1METAP1HTR2AHRH1TDP1
SCHEMBL498779 0.73 — —
SCHEMBL23153529 0.72 CHRM1 (0.35) CHRM1
SCHEMBL12384299 0.72 ALDH1A1 (0.38) ALDH1A1CHRM1CHRM3TDP1
SCHEMBL22912887 0.71 USP2 (0.36) CHRM1
SCHEMBL22726362 0.71 ACE2 (0.39) NOS3NOS1NOS2CHRM1AKR1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180175090-A1 NEAR INFRARED ABSORBING COMPOSITION, FILM, NEAR INFRARED CUT FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2018-06-21 — — US disclosed
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